| General Property |
| Molceule ID (DB) | EGIN0000210 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | N-[4-({3-bromo-4-[2-(dimethylamino)ethoxy]phenyl}amino)quinazolin-6-yl]prop-2-enamide |
| Formula | C21H22BrN5O2 |
| Mass | 456.336 |
| Exact Mass | 455.0956876 |
| Composition | C (55.27%), H (4.86%), Br (17.51%), N (15.35%), O (7.01%) |
| Atom Count | 51 |
| PI | 11.59 |
| Smiles | c12c(ccc(c1)NC(=O)C=C)ncnc2Nc1cc(c(cc1)OCCN(C)C)Br |
| InChI | 1S/C21H22BrN5O2/c1-4-20(28)25-14-5-7-18-16(11-14)21(24-13-23-18)26-15-6-8-19(17(22)12-15)29-10-9-27(
2)3/h4-8,11-13H,1,9-10H2,2-3H3,(H,25,28)(H,23,24,26) |
| InChIKey | JPJSAJWYSOMBPM-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 10753475 | 10956451 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
10742427
|
| Drug Bank Link | - |
| ChemSpider Link | 8917758 |
| ChEMBL Link | CHEMBL31369 |
